| SpectraBase Compound ID | KwTBrp9NTxO |
|---|---|
| InChI | InChI=1S/C17H12FNO4/c18-13-2-1-3-15(10-13)23-17(21)9-8-16(20)22-14-6-4-12(11-19)5-7-14/h1-7,10H,8-9H2 |
| InChIKey | MWCYYVAWHOAGSB-UHFFFAOYSA-N |
| Mol Weight | 313.28 g/mol |
| Molecular Formula | C17H12FNO4 |
| Exact Mass | 313.075036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | InVABHAxMov |
|---|---|
| Name | Succinic acid, 4-cyanophenyl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.075036029 u |
| Formula | C17H12FNO4 |
| InChI | InChI=1S/C17H12FNO4/c18-13-2-1-3-15(10-13)23-17(21)9-8-16(20)22-14-6-4-12(11-19)5-7-14/h1-7,10H,8-9H2 |
| InChIKey | MWCYYVAWHOAGSB-UHFFFAOYSA-N |
| Molecular Weight | 313.284 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(CCC(=O)OC1=CC=CC(=C1)F)=O)C#N |